SCHEMBL18435301

SCHEMBL18435301

CCN(CC)c1ccc(NNc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.55
▸ RAB9A P51151 1/20 0.55
▸ MAPT P10636 6/20 0.54
▸ MEN1 O00255 4/20 0.52
▸ KMT2A Q03164 4/20 0.52
▸ RECQL P46063 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ POLB P06746 1/20 0.49
▸ TLR9 Q9NR96 2/20 0.48
▸ GAA P10253 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ CRHBP P24387 1/20 0.47
▸ ATM Q13315 1/20 0.47
▸ CRHR2 Q13324 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10947692 0.90 RAB9A (0.62) ALDH1A1RAB9AMAPTMEN1KMT2A
SCHEMBL160430 0.89 ALDH1A1 (0.57) ALDH1A1RAB9AMAPTMEN1KMT2A
SCHEMBL18678359 0.88 ALDH1A1 (0.51) ALDH1A1RAB9AMAPTMEN1KMT2A
SCHEMBL10490273 0.84 ALDH1A1 (0.53) ALDH1A1RAB9AMAPTMEN1KMT2A
SCHEMBL29740662 0.82 MAPT (0.57) ALDH1A1RAB9AMAPTMEN1KMT2A
SCHEMBL14548754 0.81 ALDH1A1 (0.51) ALDH1A1RAB9AMAPTMEN1KMT2A
SCHEMBL7158133 0.81 MAPT (0.64) ALDH1A1RAB9AMAPTMEN1KMT2A
SCHEMBL5010052 0.80 MAPT (0.68) ALDH1A1RAB9AMAPTMEN1KMT2A
SCHEMBL8927014 0.80 ALDH1A1 (0.69) ALDH1A1RAB9AMAPTMEN1KMT2A
SCHEMBL8927017 0.80 ALDH1A1 (0.69) ALDH1A1RAB9AMAPTMEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2276798-B1 METHOD FOR CROSSLINKING BY THERMAL HUISGEN REACTION, CROSSLINKABLE CHROMOPHORIC POLYMERS, AND CROSSLINKED POLYMER SUBSTANCES HAVING STABLE ELECTRO-OPTICAL PROPERTIES CENTRE NAT DE LA RECH SCIENT (C N R S ) (FR) 2017-02-01 — — EP disclosed
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